Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T58921 Target Info
Target Name Peroxisome proliferator-activated receptor gamma (PPAR-gamma)
Synonyms PPAR-gamma; Nuclear receptor subfamily 1 group C member 3; NR1C3
Target Type Successful Target
Gene Name PPARG
Biochemical Class Nuclear hormone receptor
UniProt ID
PPARG_HUMAN
Ligand General Information  Top
Ligand Name Cysteine Sulfenic Acid Ligand Info
Canonical SMILES C(C(C(=O)O)N)SO
InChI 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey FXIRVRPOOYSARH-REOHCLBHSA-N
PubChem Compound ID 165339
Drug Binding Sites of Target  Top
PDB ID: 6C5Q      PPARg LBD bound to SR10171
Method X-ray diffraction Resolution 2.40 Å Mutation No [1]
PDB Sequence
HHHGSHMESA
209
DLRALAKHLY
219
DSYIKSFPLT
229
KAKARAILTG
239
KTTDKSPFVI
249

YDMNSLMMGE
259
DKIKFKHITP
269
LQEQSKEVAI
279
RIFQGQFRSV
290
EAVQEITEYA
300

KSIPGFVNLD
310
LNDQVTLLKY
320
GVHEIIYTML
330
ASLMNKDGVL
340
ISEGQGFMTR
350

EFLKSLRKPF
360
GDFMEPKFEF
370
AVKFNALELD
380
DSDLAIFIAV
390
IILSGDRPGL
400

LNVKPIEDIQ
410
DNLLQALELQ
420
LKLNHPESSQ
430
LFAKLLQKMT
440
DLRQIVTEHV
450

QLLQVIKKTE
460
TDMSLHPLLQ
470
EIYKDLY
Residue
Distance (Å)
ILE281
3.206
PHE282
3.416
GLN283
3.443
GLY284
1.331
GLN286
1.330
Residue
Distance (Å)
PHE287
3.269
ARG288
3.275
SER289
2.866
PHE363
3.620
MET364
4.501
PDB ID: 6C5T      PPARg LBD bound to SR11023
Method X-ray diffraction Resolution 2.75 Å Mutation No [1]
PDB Sequence
HGSHMESADL
211
RALAKHLYDS
221
YIKSFPLTKA
231
KARAILTGKT
241
TDKSPFVIYD
251

MNSLMMGEDK
261
IKFKHIQSKE
276
VAIRIFQGQF
287
RSVEAVQEIT
297
EYAKSIPGFV
307

NLDLNDQVTL
317
LKYGVHEIIY
327
TMLASLMNKD
337
GVLISEGQGF
347
MTREFLKSLR
357

KPFGDFMEPK
367
FEFAVKFNAL
377
ELDDSDLAIF
387
IAVIILSGDR
397
PGLLNVKPIE
407

DIQDNLLQAL
417
ELQLKLNHPE
427
SSQLFAKLLQ
437
KMTDLRQIVT
447
EHVQLLQVIK
457

KTETDSLHPL
468
LQEIYKDLY
Residue
Distance (Å)
ILE281
3.556
PHE282
3.448
GLN283
3.609
GLY284
1.330
GLN286
1.329
PHE287
3.178
Residue
Distance (Å)
ARG288
3.241
SER289
2.631
VAL290
4.965
PHE363
3.877
LYS367
3.598
References  Top
REF 1 PPARGamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience. 2018 Feb 27;5:69-79.

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